2-ethylsulfanylethyl (4S,5R)-4-(3,4-dimethoxyphenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: 2-ethylsulfanylethyl (4S,5R)-4-(3,4-dimethoxyphenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S,5R)-4-(3,4-dimethoxyphenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(3,4-dimethoxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4S,5R)-4-(3,4-dimethoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(3,4-dimethoxyphenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid 2-(ethylthio)ethyl ester Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1C(NC(=O)NC1=C)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCSCCOC(=O)[C@@H]1[C@H](NC(=O)NC1=C)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C18H24N2O5S/c1-5-26-9-8-25-17(21)15-11(2)19-18(22)20-16(15)12-6-7-13(23-3)14(10-12)24-4/h6-7,10,15-16H,2,5,8-9H2,1,3-4H3,(H2,19,20,22)/t15-,16+/m0/s1